4-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine

C12H22F3NO — CID 54961861

IUPAC4-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine
SMILESCC1CCC(NCCCOCC(F)(F)F)CC1
InChIInChI=1S/C12H22F3NO/c1-10-3-5-11(6-4-10)16-7-2-8-17-9-12(13,14)15/h10-11,16H,2-9H2,1H3
InChIKeyMPYQWCKIQFMGTJ-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.12
Rot. Bonds6

About 4-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine

4-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine (PubChem CID 54961861) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is 4-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine
PubChem CID54961861
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC Name4-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine
SMILESCC1CCC(NCCCOCC(F)(F)F)CC1
InChIInChI=1S/C12H22F3NO/c1-10-3-5-11(6-4-10)16-7-2-8-17-9-12(13,14)15/h10-11,16H,2-9H2,1H3
InChIKeyMPYQWCKIQFMGTJ-UHFFFAOYSA-N
XLogP3.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine hydrochloride
CID 137838564
N-(2-butoxyethyl)-4-fluoro-4-methylcyclohexan-1-amine
CID 167101588
N-(2-ethoxyethyl)-4-fluoro-4-methylcyclohexan-1-amine
CID 167101589
N-(4-methylcyclohexyl)-3-(trifluoromethyl)oxetan-3-amine
CID 169614710
N-(4-methoxy-4-methylpentan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 43730350
N-[4-(trifluoromethyl)cyclohexyl]oxan-4-amine
CID 43730370
N-(oxolan-3-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 43730458
N-(4-methoxy-4-methylpentan-2-yl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 43730622
N-[2-(trifluoromethyl)cyclohexyl]oxan-4-amine
CID 43730643
N-(oxolan-3-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 43730738
N-(4-methoxy-4-methylpentan-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 43747368
N-[3-(trifluoromethyl)cyclohexyl]oxan-4-amine
CID 43747388

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine?
The IUPAC name of 4-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine (CID 54961861) is 4-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine.
What is the SMILES notation for 4-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine?
The canonical SMILES for 4-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine is CC1CCC(NCCCOCC(F)(F)F)CC1.
What is the InChIKey of 4-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine?
The InChIKey is MPYQWCKIQFMGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-10-3-5-11(6-4-10)16-7-2-8-17-9-12(13,14)15/h10-11,16H,2-9H2,1H3.
What are the key properties of 4-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine?
4-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine has a molecular weight of 253.31 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine is sourced from PubChem (CID 54961861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).